methyl 4-[3-[(4-nitrophenyl)amino]propoxy]benzoate

Systemtic Name: methyl 4-[3-[(4-nitrophenyl)amino]propoxy]benzoate Openeye Name: methyl 4-[3-(4-nitroanilino)propoxy]benzoate CAS Name: 4-[3-(4-nitroanilino)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-nitroanilino)propoxy]benzoate Traditional Name: 4-[3-(4-nitroanilino)propoxy]benzoic acid methyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5/c1-23-17(20)13-3-9-16(10-4-13)24-12-2-11-18-14-5-7-15(8-6-14)19(21)22/h3-10,18H,2,11-12H2,1H3